N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-1967 |
| Compound Name: | N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C24 H19 N3 O4 S2 |
| Smiles: | Cc1ccccc1NC(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8569 |
| logD: | 4.8568 |
| logSw: | -4.6092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.707 |
| InChI Key: | RSEFRNIUMKZKIS-UHFFFAOYSA-N |